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ChemicalBook--->CAS DataBase List--->321125-94-4

321125-94-4

321125-94-4 Structure

321125-94-4 Structure
IdentificationBack Directory
[Name]

5-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
[CAS]

321125-94-4
[Synonyms]

rac-Aprepitant-d4
5-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
3H-1,2,4-Triazol-3-one, 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-, rel-
[Molecular Formula]

C23H21F7N4O3
[MOL File]

321125-94-4.mol
[Molecular Weight]

534.43
Chemical PropertiesBack Directory
[density ]

1.51±0.1 g/cm3(Predicted)
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

8.06±0.20(Predicted)
[color ]

Off-White to Pale Yellow
Hazard InformationBack Directory
[Uses]

A metabolite of Aprepitant (A729800).
[Definition]

ChEBI: Aprepitant is a morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. It has a role as an antidepressant, an antiemetic, a peripheral nervous system drug, a neurokinin-1 receptor antagonist and a substance P receptor antagonist. It is a member of triazoles, a member of morpholines, a cyclic acetal and a member of (trifluoromethyl)benzenes.
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